SCHEMBL7089286

SCHEMBL7089286

CCOc1cc2nc(CCl)nc(Cl)c2cc1OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.52
ALDH1A1 P00352 1/20 0.40
KLK7 P49862 4/20 0.39
KLK14 Q9P0G3 4/20 0.39
KLK5 Q9Y337 4/20 0.39
FBP1 P09467 2/20 0.38
EGFR P00533 5/20 0.37
PDPK1 O15530 1/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTSG P08311 2/20 0.36
PDE10A Q9Y233 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2725540 0.84 ENPP1 (0.48) ENPP1ALDH1A1PDE10AMAPK1PDE3A
SCHEMBL7164352 0.82 ENPP1 (0.56) ENPP1ALDH1A1KLK7KLK14KLK5
SCHEMBL27882455 0.81 ENPP1 (0.55) ENPP1ALDH1A1KLK7KLK14KLK5
SCHEMBL15819368 0.74 ENPP1 (0.51) ENPP1ALDH1A1PDE10APDE4AMAPK1
SCHEMBL29589930 0.74 ENPP1 (0.51) ENPP1ALDH1A1PDE10APDE4AMAPK1
SCHEMBL21642460 0.74 ENPP1 (0.53) ENPP1ALDH1A1KLK7KLK14KLK5
SCHEMBL1013257 0.73 ENPP1 (0.88) ENPP1ALDH1A1FBP1EGFR
SCHEMBL27248843 0.73 ENPP1 (0.47) ENPP1ALDH1A1KLK7KLK14KLK5
SCHEMBL15519916 0.72 ENPP1 (0.60) ENPP1ALDH1A1KLK7KLK14KLK5
SCHEMBL8857662 0.72 NTSR1 (0.51) ENPP1ALDH1A1PDE10AMAPK1PDE3A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144308-A1 Fructose 1,6-bisphosphatase inhibitors BAUER PAUL H (US) 2003-07-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030144308-A1 Fructose 1,6-bisphosphatase inhibitors FBP1, HK1, G6PC1 ENPP1 171/4885ALDH1A1 1023/4885KLK7 511/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.